SCHEMBL24258281

SCHEMBL24258281

O=CCc1ccc(CNc2ncnc(N(Cc3ccc(C(F)F)nc3)C3CC3)c2F)cc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.31
RORC P51449 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19640400 0.87 RORC (0.37) ENPP2RORC
SCHEMBL29456929 0.87 RORC (0.37) ENPP2RORC
SCHEMBL19650942 0.80 RORC (0.36) RORC
SCHEMBL19640522 0.79 RORC (0.37) RORC
SCHEMBL29401254 0.79 RORC (0.37) RORC
SCHEMBL19640770 0.74 CNR1 (0.35) RORC
SCHEMBL29400579 0.74 CNR1 (0.35) RORC
SCHEMBL29398118 0.73 RORC (0.41) RORC
SCHEMBL19640480 0.73 RORC (0.41) RORC
SCHEMBL23545483 0.73 RORC (0.64) RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed